O2PbSn
lead tin oxide · PbSnO2
O2PbSn is a stable, semiconducting perovskite oxide composed of lead, tin, and oxygen that is studied for its potential in electronic device applications.
About lead tin oxide
O2PbSn is a distinct member of the perovskite oxide family, characterized by its stable thermodynamic profile and semiconducting electronic nature. As a complex oxide, it represents a unique arrangement of lead, tin, and oxygen atoms that facilitates specific charge transport behaviors relevant to modern materials science.
This compound is of significant interest for researchers investigating functional oxides due to its stability on the convex hull. Its structural configuration allows it to serve as a candidate material in the development of electronic components where precise semiconducting control is required.
Key Properties
Cross-validated computational properties for lead tin oxide, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of O2PbSn. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for O2PbSn, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P42/mbc (No. 135) | tetragonal | 2.05 | 0.0000 | -6.240 | 8.45 |
| P42/mbc (No. 135) | tetragonal | — | — | — | 1.24 |
| — | — | — | — | — | 7.34 |
| — | — | — | — | — | 7.90 |
Applications
Where lead tin oxide is used.
Frequently Asked Questions
Common questions about lead tin oxide, answered from cross-validated data.
What is O2PbSn?
O2PbSn is a stable, semiconducting perovskite oxide composed of lead, tin, and oxygen that is studied for its potential in electronic device applications.
What is O2PbSn used for?
What is the band gap of O2PbSn?
Is O2PbSn a metal, semiconductor, or insulator?
Is O2PbSn thermodynamically stable?
What is the crystal structure of O2PbSn?
What is the density of O2PbSn?
How many polymorphs of O2PbSn are known?
What elements does O2PbSn contain?
Where does the data for O2PbSn come from?
How It Compares
Within the perovskite oxides class.
Unlike the more widely recognized ferroelectric perovskites such as BaTiO3 or the magnetic transition metal oxides like LaMnO3, O2PbSn occupies a specialized niche within the class. While siblings like LaAlO3 are frequently utilized as insulating substrates, O2PbSn offers a different electronic landscape that bridges the gap between traditional dielectric perovskites and more conductive oxide systems.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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